Chemical ID: 5401950

COc1cc(cc(c1)OC)C(=O)OCc2ccc(cc2)C(=O)OC
Chemical ID:
5401950
Name [?]:
(4-methoxycarbonylphenyl)methyl 3,5-dimethoxybenzoate
SMILES [?]:
COc1cc(cc(c1)OC)C(=O)OCc2ccc(cc2)C(=O)OC
InChi [?]:
InChI=1/C18H18O6/c1-21-15-8-14(9-16(10-15)22-2)18(20)24-11-12-4-6-13(7-5-12)17(19)23-3/h4-10H,11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,10,24,16,20,17,19,4,6,8,14,15,18,5,3,7,21,11,22,12,2,9,23,13/E:(1,2)(4,5)(6,7)(8,9)(15,16)(21,22)/rA:24nCOCCCCCCOCCOOCCCCCCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18O6
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.7665
Area:562.301
Solvation:-5.29104
Coulombic:-54.1674
Bond Count [?]
All:25
Single:17
Double:8
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:330.332
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.43
LogP (Chemaxon):2.41

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Descriptor Annotations

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